| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N1-butyl-N1-ethyl-1-phenyl-propane-1,2-diamine (1S,2R)-N1-butyl-N1-ethyl-1-phen…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.94 | 7.22 | -108.44 | 4 | 2 | 2 | 32 | 236.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 6.91 | -29.35 | 3 | 2 | 1 | 30 | 235.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 5.14 | -39.99 | 3 | 2 | 1 | 31 | 235.395 | 7 | ↓ |
